2-(4-bromophenyl)-4-(3-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-(4-bromophenyl)-4-(3-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-(4-bromophenyl)-4-(3-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-(4-bromophenyl)-4-(3-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-(4-bromophenyl)-4-(3-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-(4-bromophenyl)-4-(3-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C19H16BrClN4 MolecularWeight: 415.71414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCC(CN2C=NC=N2)(C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCC(CN2C=NC=N2)(C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H16BrClN4/c20-17-6-4-16(5-7-17)19(11-22,12-25-14-23-13-24-25)9-8-15-2-1-3-18(21)10-15/h1-7,10,13-14H,8-9,12H2